@MOLECULE 5-methyl-2-oxo-2h-chromen-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside 63 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.1905 0.0323 -0.1509 C.3 1 UNL1 0.0409 2 C 1.5055 0.3336 0.8765 C.3 1 UNL1 0.2634 3 C -0.8717 1.2702 0.7062 C.3 1 UNL1 0.0998 4 C 0.6346 1.5999 0.7891 C.3 1 UNL1 0.0289 5 C -0.1488 -1.0990 0.0044 C.3 1 UNL1 0.0415 6 C -3.5354 -0.4285 -0.3294 C.3 1 UNL1 0.2709 7 C -4.4549 -1.5342 0.2388 C.3 1 UNL1 0.0311 8 C -5.9093 -1.2903 -0.1995 C.3 1 UNL1 0.0692 9 C -6.3370 0.1723 0.0487 C.3 1 UNL1 0.0733 10 C -5.2958 1.1377 -0.5497 C.3 1 UNL1 0.0366 11 C 7.3512 -0.0312 -0.7558 C.ar 1 UNL1 -0.2774 12 C 6.4983 2.2295 -0.8763 C.ar 1 UNL1 -0.2799 13 C 7.5388 1.3068 -1.0486 C.ar 1 UNL1 -0.0221 14 C -0.2585 -2.1495 -1.1138 C.3 1 UNL1 -0.0149 15 C -5.5292 2.5983 -0.1335 C.3 1 UNL1 -0.0059 16 C 4.1780 2.8434 -0.2397 C.3 1 UNL1 -0.4603 17 H -1.4728 3.1517 0.5876 H 1 UNL1 0.3317 18 H 1.6530 2.6862 2.1042 H 1 UNL1 0.3290 19 H -3.1501 -2.9690 -0.1897 H 1 UNL1 0.3481 20 H -6.5214 -2.9975 0.5831 H 1 UNL1 0.3393 21 H -8.2176 -0.2111 -0.3983 H 1 UNL1 0.3375 22 H 0.3233 -3.7791 -0.1460 H 1 UNL1 0.3261 23 H -3.6457 3.0302 -0.5347 H 1 UNL1 0.3370 24 C 5.2525 1.8272 -0.4084 C.ar 1 UNL1 0.1736 25 O 4.8618 -3.5119 0.5841 O.2 1 UNL1 -0.4180 26 O -1.4842 2.3480 0.0224 O.3 1 UNL1 -0.5541 27 O 0.7523 2.3122 2.0014 O.3 1 UNL1 -0.5490 28 O -4.1033 -2.7673 -0.3486 O.3 1 UNL1 -0.5640 29 O -6.7827 -2.0499 0.6108 O.3 1 UNL1 -0.5629 30 O -7.5270 0.4405 -0.6590 O.3 1 UNL1 -0.5481 31 O -0.4976 -3.4137 -0.5398 O.3 1 UNL1 -0.5451 32 O -4.5369 3.4137 -0.7156 O.3 1 UNL1 -0.5500 33 O -2.3486 -0.5777 0.4011 O.3 1 UNL1 -0.4131 34 O 2.8080 0.8030 0.5377 O.3 1 UNL1 -0.3577 35 C 3.7904 -0.1094 0.3695 C.ar 1 UNL1 0.4168 36 C 4.7855 -2.3255 0.4286 C.ar 1 UNL1 0.6257 37 C 5.0285 0.4677 -0.1044 C.ar 1 UNL1 -0.2926 38 C 6.0918 -0.4376 -0.2853 C.ar 1 UNL1 0.3346 39 O 1.1538 -0.5684 -0.1496 O.3 1 UNL1 -0.4361 40 O -4.0338 0.8459 0.0284 O.3 1 UNL1 -0.4419 41 O 5.9933 -1.7529 -0.0286 O.2 1 UNL1 -0.3772 42 C 3.6772 -1.4368 0.6303 C.ar 1 UNL1 -0.5282 43 H -1.3348 0.3382 -1.2109 H 1 UNL1 0.1620 44 H 1.5205 -0.1583 1.8699 H 1 UNL1 0.1455 45 H -1.3206 1.1765 1.7251 H 1 UNL1 0.1676 46 H 0.9449 2.2458 -0.0655 H 1 UNL1 0.1637 47 H -0.2506 -1.5826 1.0062 H 1 UNL1 0.1584 48 H -3.3732 -0.4906 -1.4238 H 1 UNL1 0.1246 49 H -4.3623 -1.6137 1.3450 H 1 UNL1 0.1615 50 H -6.0678 -1.5926 -1.2607 H 1 UNL1 0.1541 51 H -6.5120 0.3546 1.1322 H 1 UNL1 0.1505 52 H -5.2436 1.0473 -1.6572 H 1 UNL1 0.1502 53 H 2.7584 -1.9091 0.9682 H 1 UNL1 0.2092 54 H -1.1444 -1.9958 -1.7580 H 1 UNL1 0.1495 55 H 0.6534 -2.1695 -1.7430 H 1 UNL1 0.1508 56 H 8.1417 -0.7690 -0.8797 H 1 UNL1 0.1881 57 H 6.6761 3.2757 -1.1152 H 1 UNL1 0.1635 58 H 8.5060 1.6538 -1.4183 H 1 UNL1 0.1549 59 H -6.4821 2.9867 -0.5412 H 1 UNL1 0.1602 60 H -5.4986 2.7259 0.9632 H 1 UNL1 0.1281 61 H 3.8192 2.8782 0.8006 H 1 UNL1 0.1649 62 H 4.5045 3.8604 -0.4995 H 1 UNL1 0.1606 63 H 3.3098 2.6119 -0.8802 H 1 UNL1 0.1755 @BOND 1 54 14 1 2 55 14 1 3 52 10 1 4 48 6 1 5 58 13 1 6 50 8 1 7 43 1 1 8 57 12 1 9 14 31 1 10 14 5 1 11 13 12 ar 12 13 11 ar 13 63 16 1 14 56 11 1 15 12 24 ar 16 11 38 ar 17 32 23 1 18 32 15 1 19 30 21 1 20 30 9 1 21 10 15 1 22 10 40 1 23 10 9 1 24 59 15 1 25 31 22 1 26 62 16 1 27 24 16 1 28 24 37 ar 29 28 19 1 30 28 7 1 31 6 40 1 32 6 7 1 33 6 33 1 34 38 37 ar 35 38 41 ar 36 16 61 1 37 8 9 1 38 8 7 1 39 8 29 1 40 1 5 1 41 1 33 1 42 1 3 1 43 39 5 1 44 39 2 1 45 15 60 1 46 37 35 ar 47 46 4 1 48 41 36 ar 49 5 47 1 50 26 17 1 51 26 3 1 52 9 51 1 53 7 49 1 54 35 34 1 55 35 42 ar 56 36 25 2 57 36 42 ar 58 34 2 1 59 20 29 1 60 42 53 1 61 3 4 1 62 3 45 1 63 4 2 1 64 4 27 1 65 2 44 1 66 27 18 1